Luminescence of Ce 3+ -Doped MB2Si2O8 (M = Sr, Ba): A Deeper Insight into the Effects of Electronic Structure and Stokes Shift
- Sun Yat-Sen Univ., Guangzhou, (China)
- Chongqing Univ. of Posts and Telecommunications (China)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Chinese Academy of Sciences (CAS), Beijing (China)
A series of Sr 1 -2x CexNaxB2Si2O8 and Ba 1-2x CexKxB2Si2O8 (x = 0.005, 0.01, 0.02, 0.04, 0.06, 0.08) samples were synthesized by a high-temperature solid-state reaction. The low temperature excitation, emission, and fluorescence decay spectra together demonstrated that all spectral bands arise from the Ce 3+ ions located at only one kind of lattice site. The first-principles calculations of the structural and electronic properties of pure and Ce 3+2Si2O8 (M = Sr, Ba) were performed, and the obtained results were used for understanding the structural changes after doping and identification of the observed position of the host absorption bands. The measured 4f-5d excitation and emission spectra of Ce3+ ions doped in MB2Si2O8 were analyzed and simulated in the framework of the crystal-field (CF) theory. The electron-phonon coupling effect generally ignored in most studies published so far was also taken into account by applying the configurational coordinate model. The validity of such a combined insight into the 5d CF energy level positions and the Stokes shift has been confirmed by analyzing the dependence of the Ce 3+
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- National Natural Science Foundation of China (NNSFC)
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 1239321
- Journal Information:
- Journal of Physical Chemistry. C, Vol. 120, Issue 1; ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
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